Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform' and Ligand = 'BDBM50396632'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50396632 (CHEMBL2171937) Show SMILES Cn1c(CN2CCC(CC2)C(C)(C)O)nc2c(nc(nc12)-n1c(nc2ccccc12)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C30H41N9O3/c1-30(2,40)21-8-10-36(11-9-21)20-24-32-25-26(35(24)3)33-28(34-27(25)37-12-16-41-17-13-37)39-23-7-5-4-6-22(23)31-29(39)38-14-18-42-19-15-38/h4-7,21,40H,8-20H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kdelta assessed as inhibition of PIP3 production for 30 mins by fluorescence polarization assay				J Med Chem 55: 7686-95 (2012) Article DOI: 10.1021/jm300717c BindingDB Entry DOI: 10.7270/Q2DB8302
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